Glycoside
...
GD144018

Name:
None

Formula:
C47H74O14N5

Smiles:
CNCC1CCCC12CCC(OC(=O)C1=COC(OC3OC(CO)C(O)C(O)(O)C3OC(C)C)C(C=C3CCCCC3)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1)C2

Aglycone:
CNCC1CCCC12CCC(OC(=O)C1=COC(O)C(C=C3CCCCC3)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1)C2

Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)O

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 12 FractionCSP3: 0.72
AlogP: -0.22 Num_rotatable_bonds: 19
MolWt: 933.13 Num_heavy_atoms: 66
TPSA: 286.82 NumAromaticRings: 0

Unique Aglycone
AD57898
Formula: C38H58O8N5

Smiles:
CNCC1CCCC12CCC(OC(=O)C1=COC(O)C(C=C3CCCCC3)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1)C2
HBA: 13 RingCount: 5
HBD: 9 FractionCSP3: 0.66
AlogP: 1.21 Num_rotatable_bonds: 14
MolWt: 712.91 Num_heavy_atoms: 51
TPSA: 198.44 NumAromaticRings: 0

Sugarmoiety
SD04585

CC(C)OC1C(O)OC(CO)C(O)C1(O)O